Quadratically convergent ROHF
Convergence threshold : 1.000E-04
Maximum no. of iterations : 200
Final Fock-matrix accuracy: 1.000E-07
----------------------------------------------
iter energy gnorm gmax time
----- ------------------- --------- --------- --------
1 -910.1445749954 1.44D-01 1.02D-02 70113.4
2 -910.1461767862 8.73D-03 6.99D-04 70728.2
3 -910.1461843584 1.52D-03 9.20D-05 72199.4
4 -910.1461844634 7.18D-04 4.66D-05 73578.9
5 -910.1461844635 5.86D-04 4.24D-05 74547.5
6 -910.1461843982 4.33D-04 2.40D-05 75505.2
7 -910.1461843918 3.67D-04 2.18D-05 76439.7
8 -910.1461844107 3.48D-04 2.36D-05 77350.0
9 -910.1461844179 3.52D-04 2.72D-05 78287.3
10 -910.1461844187 2.84D-04 1.69D-05 79021.4
11 -910.1461844261 2.32D-04 1.76D-05 80173.2
12 -910.1461843772 2.63D-04 1.31D-05 80895.4
13 -910.1461843861 2.85D-04 1.63D-05 81581.1
14 -910.1461843581 2.35D-04 1.68D-05 82728.4
15 -910.1461843618 2.85D-04 2.06D-05 83450.2
16 -910.1461843828 2.47D-04 1.40D-05 84594.4
17 -910.1461843925 1.94D-04 1.79D-05 85970.2
18 -910.1461843689 1.77D-04 1.50D-05 87332.2
19 -910.1461843838 1.53D-04 1.41D-05 88257.8
20 -910.1461843767 2.42D-04 1.64D-05 90939.9
21 -910.1461843823 1.59D-04 1.19D-05 93193.2
22 -910.1461843802 1.83D-04 1.19D-05 95180.8
23 -910.1461843634 1.97D-04 1.33D-05 96758.5
24 -910.1461843548 1.79D-04 1.26D-05 98322.6
25 -910.1461843872 1.55D-04 8.91D-06 100551.3
26 -910.1461843855 1.26D-04 6.36D-06 102342.2
27 -910.1461843700 1.31D-04 7.85D-06 103716.6
28 -910.1461843550 2.08D-04 1.54D-05 106369.7
29 -910.1461843544 1.80D-04 9.77D-06 109469.3
30 -910.1461844005 1.94D-04 1.16D-05 111052.9
31 -910.1461843783 1.89D-04 1.47D-05 111979.7
32 -910.1461843677 1.41D-04 1.05D-05 114424.3
33 -910.1461843639 1.53D-04 1.29D-05 118177.2
34 -910.1461843580 1.78D-04 1.38D-05 121060.7
35 -910.1461844023 1.84D-04 1.23D-05 121980.9
36 -910.1461843519 1.47D-04 8.53D-06 124240.3
37 -910.1461844106 2.16D-04 1.75D-05 128660.4
38 -910.1461843391 2.14D-04 1.46D-05 133091.4
39 -910.1461843730 1.35D-04 7.21D-06 135753.0
40 -910.1461844034 1.81D-04 1.27D-05 137558.8
41 -910.1461843615 1.26D-04 7.93D-06 139793.8
42 -910.1461843664 1.45D-04 9.15D-06 142847.2
43 -910.1461844011 1.74D-04 1.30D-05 145963.6
44 -910.1461843442 2.00D-04 1.47D-05 149083.4
45 -910.1461843957 1.53D-04 1.12D-05 151745.5
46 -910.1461843775 2.12D-04 1.03D-05 152878.4
47 -910.1461843795 2.61D-04 1.29D-05 154901.1
48 -910.1461843442 2.52D-04 1.85D-05 156281.4
49 -910.1461844243 1.99D-04 1.43D-05 157434.2
50 -910.1461843688 2.28D-04 1.43D-05 159032.3
51 -910.1461843689 2.41D-04 1.43D-05 160376.3
52 -910.1461843855 2.25D-04 1.50D-05 161091.0
53 -910.1461843843 2.50D-04 1.49D-05 162232.0
54 -910.1461843829 1.58D-04 8.05D-06 163166.1
55 -910.1461843461 1.94D-04 1.08D-05 166047.3
56 -910.1461843576 1.53D-04 8.67D-06 169150.5
57 -910.1461843997 2.72D-04 1.59D-05 173554.5
58 -910.1461844184 2.12D-04 1.25D-05 175131.8
59 -910.1461843434 2.10D-04 1.38D-05 176469.8
60 -910.1461843263 1.96D-04 1.10D-05 178483.8
61 -910.1461843958 1.94D-04 1.50D-05 179620.0
62 -910.1461843801 1.55D-04 7.64D-06 182981.0
63 -910.1461843312 2.12D-04 1.68D-05 184795.9
64 -910.1461843656 1.53D-04 9.11D-06 187025.1
65 -910.1461843993 1.82D-04 1.48D-05 189063.8
66 -910.1461843458 1.71D-04 1.30D-05 191981.5
67 -910.1461844031 1.55D-04 1.09D-05 194651.8
68 -910.1461843182 2.91D-04 2.93D-05 199099.4
69 -910.1461843986 2.47D-04 1.72D-05 199831.0
70 -910.1461843959 2.30D-04 1.58D-05 200999.3
71 -910.1461843821 1.71D-04 1.44D-05 201929.8
72 -910.1461843490 1.89D-04 1.46D-05 203688.7
73 -910.1461843826 1.94D-04 1.43D-05 205734.1
74 -910.1461843839 1.32D-04 1.17D-05 207742.8
75 -910.1461843502 1.68D-04 1.14D-05 209524.4
76 -910.1461843850 1.66D-04 1.43D-05 211986.8
77 -910.1461843423 2.29D-04 1.91D-05 216378.6
78 -910.1461844049 1.80D-04 9.58D-06 217524.8
79 -910.1461844243 2.24D-04 1.61D-05 218903.0
80 -910.1461843444 2.25D-04 1.17D-05 219600.6
81 -910.1461843797 1.69D-04 1.01D-05 220971.8
82 -910.1461843209 2.17D-04 1.85D-05 223011.7
83 -910.1461843863 2.23D-04 1.24D-05 224171.2
84 -910.1461843726 1.90D-04 1.08D-05 225114.4
85 -910.1461843867 2.08D-04 1.65D-05 227366.4
86 -910.1461843242 1.90D-04 1.07D-05 230040.2
87 -910.1461843915 1.66D-04 1.02D-05 231826.3
88 -910.1461843784 1.36D-04 7.45D-06 233430.2
89 -910.1461843529 2.01D-04 1.46D-05 234801.5
90 -910.1461844106 1.99D-04 1.83D-05 239230.7
91 -910.1461843815 1.75D-04 9.06D-06 242991.5
92 -910.1461843909 1.45D-04 1.02D-05 245658.0
93 -910.1461843561 1.60D-04 1.04D-05 247674.5
94 -910.1461843684 1.27D-04 6.75D-06 251399.9
95 -910.1461843802 2.34D-04 1.49D-05 255826.9
96 -910.1461844287 4.09D-04 2.73D-05 260267.3
97 -910.1461843296 3.17D-04 2.51D-05 261181.4
98 -910.1461843919 3.14D-04 1.74D-05 261903.7
99 -910.1461843820 3.19D-04 1.70D-05 262845.6
100 -910.1461843856 3.72D-04 3.07D-05 263580.9
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